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| CAS No.: | 83684-73-5 |
|---|---|
| Name: | 5,6-DIFLUOROISATIN |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H3F2NO2 |
| Molecular Weight: | 183.114 |
| Synonyms: | 5,6-difluoro-1H-indole-2,3-dione;1H-Indole-2,3-dione, 5,6-difluoro-;5,6-difluoro-1H-benzo[d]azoline-2,3-dione;5,6-Difluoroisatin; |
| EINECS: | 1312995-182-4 |
| Density: | 1.578 g/cm3 |
| PSA: | 46.17000 |
| LogP: | 1.23760 |
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Specification
The 1H-Isoindole-1,3(2H)-dione,5,6-difluoro-, with the CAS registry number 83684-73-5, has the systematic name and IUPAC name of 5,6-difluoro-1H-indole-2,3-dione. It belongs to the following product categories: Indole/indoline/oxindole; Boronic Acid; Heterocyclic Compounds. And the molecular formula of the chemical is C8H3F2NO2.
The characteristics of 1H-Isoindole-1,3(2H)-dione,5,6-difluoro- are as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 3.38; (6)ACD/BCF (pH 7.4): 1.57; (7)ACD/KOC (pH 5.5): 82.89; (8)ACD/KOC (pH 7.4): 38.45; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 37.41 cm3; (15)Molar Volume: 115.9 cm3; (16)Polarizability: 14.83×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.578 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc2c(cc1F)NC(=O)C2=O
(2)InChI: InChI=1/C8H3F2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
(3)InChIKey: FQIJOGDQWRLSQW-UHFFFAOYAE